methyl 4-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]butanoate CAS Name: 4-[[[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylcarbamothioylamino]butanoate Traditional Name: 4-[[4-(difluoromethoxy)-3-methoxy-benzyl]thiocarbamoylamino]butyric acid methyl ester Formula: C15H20F2N2O4S MolecularWeight: 362.392106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=S)NCCCC(=O)OC)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=S)NCCCC(=O)OC)OC(F)F

InChI

InChI=1S/C15H20F2N2O4S/c1-21-12-8-10(5-6-11(12)23-14(16)17)9-19-15(24)18-7-3-4-13(20)22-2/h5-6,8,14H,3-4,7,9H2,1-2H3,(H2,18,19,24)